3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide

C13H7F4NO2 — CID 64782946

IUPAC3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H7F4NO2/c14-8-5-7(1-2-11(8)19)18-13(20)6-3-9(15)12(17)10(16)4-6/h1-5,19H,(H,18,20)
InChIKeyKNXVFSVPBMOXIP-UHFFFAOYSA-N
MW285.20 g/mol
LogP3.20
Rot. Bonds2

About 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide

3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide (PubChem CID 64782946) has the molecular formula C13H7F4NO2 and a molecular weight of 285.20 g/mol. Its IUPAC name is 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide.

Molecular Properties

Compound Name3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
PubChem CID64782946
Molecular FormulaC13H7F4NO2
Molecular Weight285.20 g/mol
Exact Mass285.04
IUPAC Name3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide
SMILESO=C(Nc1ccc(O)c(F)c1)c1cc(F)c(F)c(F)c1
InChIInChI=1S/C13H7F4NO2/c14-8-5-7(1-2-11(8)19)18-13(20)6-3-9(15)12(17)10(16)4-6/h1-5,19H,(H,18,20)
InChIKeyKNXVFSVPBMOXIP-UHFFFAOYSA-N
XLogP3.20
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.20
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}, {'alert_name': 'hydroquinone', 'substructure': 'N/A'}

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Related Compounds

N-(3-fluoro-4-hydroxyphenyl)pyridine-4-carboxamide
CID 64780099
3,4-dihydroxy-N-(3,4,5-trifluorophenyl)benzamide
CID 103957233
N-(3-fluoro-4-hydroxyphenyl)pyrimidine-5-carboxamide
CID 102922040
4-amino-3,5-difluoro-N-(3,4,5-trifluorophenyl)benzamide
CID 63185686
4-ethyl-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 64780111
N-(3-fluoro-4-hydroxyphenyl)acetamide
CID 3014069
N-(4-amino-3-methylphenyl)-3,4,5-trifluorobenzamide
CID 63183667
3,4,5-trifluoro-N-(4-methylsulfanylphenyl)benzamide
CID 63188297
6-chloro-N-(3-fluoro-4-hydroxyphenyl)pyridine-3-carboxamide
CID 64782062
4-bromo-3-chloro-N-(3-fluoro-4-hydroxyphenyl)benzamide
CID 81295822
N-(3-fluoro-4-hydroxyphenyl)-3,4-dimethoxybenzamide
CID 64781635
3-[(3,4,5-trifluorobenzoyl)amino]benzoic acid
CID 63183542

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
The IUPAC name of 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide (CID 64782946) is 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide.
What is the SMILES notation for 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
The canonical SMILES for 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide is O=C(Nc1ccc(O)c(F)c1)c1cc(F)c(F)c(F)c1.
What is the InChIKey of 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
The InChIKey is KNXVFSVPBMOXIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7F4NO2/c14-8-5-7(1-2-11(8)19)18-13(20)6-3-9(15)12(17)10(16)4-6/h1-5,19H,(H,18,20).
What are the key properties of 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide?
3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide has a molecular weight of 285.20 g/mol, XLogP of 3.20, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trifluoro-N-(3-fluoro-4-hydroxyphenyl)benzamide is sourced from PubChem (CID 64782946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).